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DocumentationIdentifier: MM26014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26014 |
| SMILES |
C=CN(CC#N)C(=N)CO
|
| InChIKey |
BYXHCJWZZKUHNU-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89301
Similarity: 0.75
Similarity to MM89301
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78715
Similarity: 0.7059
Similarity to MM78715
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53717
Similarity: 0.6985
Similarity to MM53717
| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8225 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
